ID: 59914
SMILES:C1(C(C)(C)O)C2c3c(O)cc(CCCCC)c(C(=O)O)c3OC(C=CC(C)=C2)C(C)(O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 444.568
CB1 binding score: -16.486
InChIKey:FMPBCRINUGXSDT-UHFFFAOYSA-N
ID: 59915
SMILES:c1(O)c2c(cc(CCCCC)c1)OC(CCC1=C(C)CCCC1(C)C)(C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.588
CB1 binding score: -17.334
InChIKey:YHXQUKOWCPNRJA-UHFFFAOYSA-N
ID: 59916
SMILES:C1=CC2C(C)(C)Oc3cc(CCCCC)c(OC)c(c32)C1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.398
CB1 binding score: -15.65
InChIKey:INBZLOJBSDZWDV-UHFFFAOYSA-N
ID: 59917
SMILES:c1c2c(cc(CCCCC)c1)OC(C)(C)C1OC(C)(CCC=C(C)C)C(O1)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.576
CB1 binding score: -16.634
InChIKey:JXHKPZOOCRWHOX-UHFFFAOYSA-N
ID: 59918
SMILES:C1C2(C)C3C(C(C)=C)Oc4c(c(O)cc(CCCCC)c4)C3C=C(C(O)=O)C2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 410.554
CB1 binding score: -16.528
InChIKey:FERQQQRYWIXTDG-UHFFFAOYSA-N
ID: 59919
SMILES:c1(O)c(C(C)(CCCC(C)C)OC)cc2c(c1)OC(C)(C)C1CC=C(C)C(CC=C(C)C)C21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 454.695
CB1 binding score: -12.969
InChIKey:DRDNHADTBRMDCE-UHFFFAOYSA-N
ID: 59920
SMILES:O1C23C4OC1(C)C(=O)CC2c1c(c(C2C(C(C)C)CCC(C)=C2)c(O)c(CC=C(C)C)c1O3)C(C)(C)O4
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 508.655
CB1 binding score: -15.843
InChIKey:YSTFYIBBQFAAKP-UHFFFAOYSA-N
ID: 59921
SMILES:Cc1c(Cl)c2c(c(O)c1Br)C1C(CCC(C)=C1)C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 371.702
CB1 binding score: -16.502
InChIKey:RYKMEZCNSAQHRH-UHFFFAOYSA-N
ID: 59922
SMILES:C12C3C(c4c(cc(CCCCC)cc4O)OC3(C)C)C=C(CO)C1(O)C(C)C(=O)C2=Cc1cc(O)c(O)cc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 534.649
CB1 binding score: -14.379
InChIKey:QWSZHDBXJWABSZ-UHFFFAOYSA-N
ID: 59923
SMILES:C1C2C(c3c(O)cc(CCCCC)cc3O1)cccc2CO
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.398
CB1 binding score: -15.225
InChIKey:YILBIFJPJPQFIH-UHFFFAOYSA-N
ID: 59924
SMILES:Oc1c2c(cc(CCCCC)c1)OC(C)(C)C1C(CC(C)=CC1)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -17.599
InChIKey:OKPNTJAVRIGYKE-UHFFFAOYSA-N
ID: 59925
SMILES:c1(C)c(C)c2c(cc1OCOc1cc(CCCCC)cc(O)c1)OC(CCC=C(C)C)(C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 464.646
CB1 binding score: -16.417
InChIKey:HJSWUDXTKHNTQT-UHFFFAOYSA-N
ID: 59926
SMILES:c12cc(CCCCC)cc(O)c1OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -19.438
InChIKey:NKPBIUKTNLMNFS-UHFFFAOYSA-N
ID: 59927
SMILES:C(CCC)Cc1cc2c(c(O)c1)C1CC(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -20.541
InChIKey:XKRHRBJLCLXSGE-UHFFFAOYSA-N
ID: 59928
SMILES:c1(CCCCC)cc(O)c(CC=C(C)CCC=C(CO)C)c(O)c1CO
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 362.51
CB1 binding score: -14.92
InChIKey:RXFAQSQDEFNVJF-UHFFFAOYSA-N
ID: 59929
SMILES:C1CC(C)(C)Oc2cc(CCCCCC)c(O)c(C(C(C)C)=O)c21
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -13.505
InChIKey:UCGWQYGYJVYEIP-UHFFFAOYSA-N
ID: 59930
SMILES:C1C(O)C(C)(C)Oc2c1cc(CCCCC)c(C(=O)OC)c2O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 322.401
CB1 binding score: -16.68
InChIKey:IRYLFNRJCICQEP-UHFFFAOYSA-N
ID: 59931
SMILES:C12c3c(cc(CCCCCO)cc3OC)OC3(C)CC1C(C(C)CO2)CCC3C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 402.575
CB1 binding score: -15.493
InChIKey:QWYZNOMDHTVXRZ-UHFFFAOYSA-N
ID: 59932
SMILES:O1c2c(c(O)cc(CCCCC)c2)C2=C(C)C=CC3C(C)(C)C3C12C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 338.491
CB1 binding score: -15.212
InChIKey:RPILBAMQEIJYIV-UHFFFAOYSA-N
ID: 59933
SMILES:CC1=CC2C(c3c(cc(O)c(CC=C)c3O)OC(C)(C)C(O)C2)C(C(CC=C(C)C)=O)(C)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 454.607
CB1 binding score: -15.358
InChIKey:XWSHDNSBGLKXNV-UHFFFAOYSA-N
ID: 59934
SMILES:CC1(CCC=C(C)CCC=C(C)C)C2c3c(O)cc(C)cc3OC2(C(O)(C)C)C=C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 410.598
CB1 binding score: -15.726
InChIKey:UYZCOYPQIPIVOC-UHFFFAOYSA-N